3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol

C10H22N2O3 — CID 139832285

IUPAC3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
SMILESCC(O)CN1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H22N2O3/c1-9(14)6-11-2-4-12(5-3-11)7-10(15)8-13/h9-10,13-15H,2-8H2,1H3
InChIKeyJGUBQJATNNBHOV-UHFFFAOYSA-N
MW218.30 g/mol
LogP-1.66
Rot. Bonds5

About 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol

3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol (PubChem CID 139832285) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
PubChem CID139832285
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
SMILESCC(O)CN1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H22N2O3/c1-9(14)6-11-2-4-12(5-3-11)7-10(15)8-13/h9-10,13-15H,2-8H2,1H3
InChIKeyJGUBQJATNNBHOV-UHFFFAOYSA-N
XLogP-1.66
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
3-(4-prop-1-ynylpiperazin-1-yl)propane-1,2-diol
CID 163614690
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
2-[4,7-bis(1-carboxylato-2-hydroxyethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoate;gadolinium
CID 159015742
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]ethanethioamide
CID 82850666
ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol (CID 139832285) is 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol is CC(O)CN1CCN(CC(O)CO)CC1.
What is the InChIKey of 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol?
The InChIKey is JGUBQJATNNBHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-9(14)6-11-2-4-12(5-3-11)7-10(15)8-13/h9-10,13-15H,2-8H2,1H3.
What are the key properties of 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol?
3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol has a molecular weight of 218.30 g/mol, XLogP of -1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol is sourced from PubChem (CID 139832285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).